| SpectraBase Spectrum ID |
1tLAVBq4PQ5 |
| Name |
Isopropyl hexanoate |
| CAS Registry Number |
2311-46-8 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey |
JSHDAORXSNJOBA-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Number of Peaks |
50 |
| RI1 |
1034 |
| RI2 |
708 |
| RI3 |
642 |
| RI4 |
601 |
| SMILES |
CCCCCC(=O)OC(C)C |
| SPLASH |
splash10-0006-9100000000-b47bd846ab00ebde6613 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Hexanoic acid, 1-methylethyl ester |
| Wiley ID |
LM_FFNSC3_1992 |
